UCSF

ZINC09179052

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 32 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-(3-methoxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-2-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.19 10.98 -60.18 0 6 -1 79 436.528 10 ↓
Mid Mid (pH 6-8) 4.19 10.61 -11.23 1 6 0 76 437.536 10 ↓
Mid Mid (pH 6-8) 3.61 0.8 -11.42 0 6 0 72 437.536 10 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )